Geometry & MOs

Info

ID:	72092
PubChem CID:	48415803
Reduced:	ON4C24H26 (1)
Stoich.:	AB4C24D26 (1)
Weight, g/mol:	403.135448
ΔH_f, kcal/mol:	20.59
Dipole, Da:	5.43
IP(EA), eV:	-8.39(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC4=C(C=C3)NC5=C4CCCC5

DOS

IR

Vibrations